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{
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"structure_string": "Mg3 V1\n1.0\n6.200877 0.140524 0.000000\n-1.489370 2.579665 0.000000\n0.000000 0.000000 4.955967\nMg V\n3 1\ndirect\n0.654276 0.654274 0.250000 Mg\n0.333822 0.333821 0.750001 Mg\n0.856012 0.356010 0.750001 Mg\n0.155887 0.655886 0.250000 V\n",
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{
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"structure_string": "Mg7 V1\n1.0\n-4.358589 -4.358589 0.000000\n-4.358589 0.000000 -4.358589\n0.000000 -4.358589 -4.358589\nMg V\n7 1\ndirect\n0.500000 0.500000 0.500000 Mg\n0.500000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 V\n",
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{
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"structure_string": "Mg2 U2\n1.0\n2.826260 0.000000 0.000000\n0.000000 4.852792 -0.000000\n0.000000 -0.000000 6.174803\nMg U\n2 2\ndirect\n0.000000 0.750000 0.118471 Mg\n0.000000 0.250000 0.881529 Mg\n0.500000 0.250000 0.409239 U\n0.500000 0.750000 0.590761 U\n",
"nsites": 4,
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{
"id": "jvasp-38931",
"created_at": "2022-09-04T14:38:01.236062Z",
"updated_at": "2022-09-04T14:38:01.236095Z",
"structure_string": "Mg2 Tl6\n1.0\n3.412155 -5.910026 -0.000000\n3.412155 5.910026 0.000000\n-0.000000 -0.000000 5.597937\nMg Tl\n2 6\ndirect\n0.666666 0.333332 0.250000 Mg\n0.333332 0.666666 0.750000 Mg\n0.662607 0.831304 0.250000 Tl\n0.168695 0.831304 0.250000 Tl\n0.168695 0.337392 0.250000 Tl\n0.831304 0.662607 0.750000 Tl\n0.831304 0.168695 0.750000 Tl\n0.337392 0.168695 0.750000 Tl\n",
"nsites": 8,
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"chemical_system": "Mg-Tl",
"density": 9.376751618947168,
"density_atomic": 0.0354334828332934,
"volume": 225.77515277395133,
"volume_molar": 16.99562187644049,
"formula_full": "Mg2 Tl6",
"formula_reduced": "MgTl3",
"formula_anonymous": "AB3",
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"spacegroup": 194
},
{
"id": "jvasp-100203",
"created_at": "2022-09-04T14:36:39.744055Z",
"updated_at": "2022-09-04T14:36:39.744076Z",
"structure_string": "Mg3 Tl1\n1.0\n4.513587 0.000000 0.000000\n-0.000000 4.513587 0.000000\n-0.000000 -0.000000 4.513587\nMg Tl\n3 1\ndirect\n0.500000 0.500000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Tl\n",
"nsites": 4,
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"volume": 91.95290494693097,
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"spacegroup": 221
},
{
"id": "jvasp-56750",
"created_at": "2022-09-04T14:38:26.950989Z",
"updated_at": "2022-09-04T14:38:26.951003Z",
"structure_string": "Mg6 Tl3\n1.0\n4.075733 -7.059377 -0.000000\n4.075733 7.059377 0.000000\n0.000000 0.000000 3.690238\nMg Tl\n6 3\ndirect\n0.282452 -0.000000 0.000000 Mg\n0.376664 0.376664 0.500000 Mg\n-0.000000 0.282452 -0.000000 Mg\n0.623335 -0.000000 0.500000 Mg\n-0.000000 0.623335 0.500000 Mg\n0.717547 0.717547 -0.000000 Mg\n0.333333 0.666667 -0.000000 Tl\n0.000000 0.000000 0.500000 Tl\n0.666667 0.333333 0.000000 Tl\n",
"nsites": 9,
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"volume": 212.35205772839655,
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"formula_full": "Mg6 Tl3",
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"spacegroup": 189
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{
"id": "jvasp-98569",
"created_at": "2022-09-04T14:35:58.364438Z",
"updated_at": "2022-09-04T14:35:58.364464Z",
"structure_string": "Mg10 Tl4\n1.0\n5.777345 -0.000226 -2.228512\n-1.212274 6.560206 -3.138153\n0.007768 -0.017831 8.613445\nMg Tl\n10 4\ndirect\n0.413826 0.075542 0.827894 Mg\n0.482628 0.732567 0.465024 Mg\n0.249982 0.500027 0.000021 Mg\n0.086073 0.247700 0.172090 Mg\n0.586175 0.924458 0.172106 Mg\n0.517372 0.267433 0.534976 Mg\n0.017396 0.267555 0.534919 Mg\n0.982604 0.732445 0.465082 Mg\n0.913927 0.752300 0.827910 Mg\n0.750018 0.499973 -0.000020 Mg\n0.622335 0.354148 0.244715 Tl\n0.877595 0.109378 0.755210 Tl\n0.122405 0.890622 0.244790 Tl\n0.377665 0.645853 0.755285 Tl\n",
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"density": 5.399052155425007,
"density_atomic": 0.04291920981446966,
"volume": 326.19426267442793,
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"formula_full": "Mg10 Tl4",
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"spacegroup": 72
},
{
"id": "jvasp-101587",
"created_at": "2022-09-04T14:36:52.323435Z",
"updated_at": "2022-09-04T14:36:52.323454Z",
"structure_string": "Mg3 Tl1\n1.0\n4.104257 -0.018367 -3.761459\n-0.806636 4.024251 -3.761459\n0.015120 0.018367 5.567160\nMg Tl\n3 1\ndirect\n0.500000 0.500000 -0.000000 Mg\n0.750000 0.250000 0.500000 Mg\n0.250000 0.750000 0.500000 Mg\n0.000000 0.000000 0.000000 Tl\n",
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"spacegroup": 139
},
{
"id": "jvasp-16575",
"created_at": "2022-09-04T14:37:44.450785Z",
"updated_at": "2022-09-04T14:37:44.450808Z",
"structure_string": "Mg1 Tl1\n1.0\n3.658627 -0.000000 0.000000\n-0.000000 3.658627 -0.000000\n-0.000000 -0.000000 3.658627\nMg Tl\n1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Tl\n",
"nsites": 2,
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"formula_full": "Mg1 Tl1",
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"spacegroup": 221
},
{
"id": "jvasp-79750",
"created_at": "2022-09-04T14:37:11.089226Z",
"updated_at": "2022-09-04T14:37:11.089248Z",
"structure_string": "Mg1 Ti3\n1.0\n2.940678 0.000000 -0.000000\n-1.470339 2.546702 0.000000\n0.000000 -0.000000 9.681458\nMg Ti\n1 3\ndirect\n0.666667 0.333333 0.500000 Mg\n0.666667 0.333333 0.000000 Ti\n0.000000 0.000000 0.767352 Ti\n0.000000 0.000000 0.232648 Ti\n",
"nsites": 4,
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"spacegroup": 187
},
{
"id": "jvasp-90784",
"created_at": "2022-09-04T14:36:12.351116Z",
"updated_at": "2022-09-04T14:36:12.351125Z",
"structure_string": "Mg4 Ti4\n1.0\n9.284706 0.000000 0.000000\n0.000000 4.088110 -0.000000\n0.000000 -0.000000 4.084061\nMg Ti\n4 4\ndirect\n0.864926 0.499996 0.250000 Mg\n0.135075 -0.000004 0.250000 Mg\n0.864926 0.000004 0.750000 Mg\n0.135075 0.500004 0.750000 Mg\n0.604093 -0.000006 0.250000 Ti\n0.395908 0.499994 0.250000 Ti\n0.604093 0.500006 0.750000 Ti\n0.395908 0.000006 0.750000 Ti\n",
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"volume": 155.01829270694162,
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},
{
"id": "jvasp-94376",
"created_at": "2022-09-04T14:36:12.046192Z",
"updated_at": "2022-09-04T14:36:12.046202Z",
"structure_string": "Mg4 Ti2\n1.0\n2.994040 -0.000000 -0.000000\n-1.497019 2.592914 0.000000\n0.000000 0.000000 15.481657\nMg Ti\n4 2\ndirect\n0.333332 0.666666 0.913275 Mg\n0.333332 0.666666 0.586725 Mg\n0.666667 0.333332 0.413275 Mg\n0.666667 0.333332 0.086725 Mg\n0.666667 0.333332 0.750000 Ti\n0.333332 0.666666 0.250000 Ti\n",
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